Chemical Properties of 3,4-Dimethyl pyrrolidine (E)

InChI

InChI=1S/C6H13N/c1-5-3-7-4-6(5)2/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1

InChI Key

RDEHRKLSYJBKDV-PHDIDXHHSA-N

Formula

C6H13N

SMILES

CC1CNCC1C

Molecular Weight¹

99.17

Other Names

• Pyrrolidine, 3,4-dimethyl, trans

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.89	kJ/mol	Joback Calculated Property
ΔvapH°	47.81	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
logPoct/wat	0.862		Crippen Calculated Property
McVol	94.520	ml/mol	McGowan Calculated Property
Inp	[796.00; 796.00]
Inp	796.00		NIST
Inp	796.00		NIST
Inp	796.00		NIST
Tboil	396.64	K	Relay (1.0) Calculated Property
Tc	574.12	K	Relay (1.0) Calculated Property
Tfus	270.71	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.58; 254.73]	J/mol×K	[396.04; 600.72]
Cp,gas	176.58	J/mol×K	396.04	Joback Calculated Property
Cp,gas	191.11	J/mol×K	430.15	Joback Calculated Property
Cp,gas	205.03	J/mol×K	464.27	Joback Calculated Property
Cp,gas	218.34	J/mol×K	498.38	Joback Calculated Property
Cp,gas	231.05	J/mol×K	532.49	Joback Calculated Property
Cp,gas	243.18	J/mol×K	566.61	Joback Calculated Property
Cp,gas	254.73	J/mol×K	600.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dimethyl pyrrolidine (E).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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